CID 165648545

2751621-60-8

Structural Information

Molecular Formula
C7H10N2O3S
SMILES
CC(COC1=NC(=CS1)C(=O)O)N
InChI
InChI=1S/C7H10N2O3S/c1-4(8)2-12-7-9-5(3-13-7)6(10)11/h3-4H,2,8H2,1H3,(H,10,11)
InChIKey
SXFCJIMYNQDAAP-UHFFFAOYSA-N
Compound name
2-(2-aminopropoxy)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04121 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04849 142.0
[M+Na]+ 225.03043 149.4
[M-H]- 201.03393 142.9
[M+NH4]+ 220.07503 160.7
[M+K]+ 241.00437 147.7
[M+H-H2O]+ 185.03847 135.8
[M+HCOO]- 247.03941 159.0
[M+CH3COO]- 261.05506 181.6
[M+Na-2H]- 223.01588 141.6
[M]+ 202.04066 143.7
[M]- 202.04176 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.